N-(dithiophen-2-ylmethyl)cyclopentanamine

C14H17NS2 — CID 43756506

IUPACN-(dithiophen-2-ylmethyl)cyclopentanamine
SMILESc1csc(C(NC2CCCC2)c2cccs2)c1
InChIInChI=1S/C14H17NS2/c1-2-6-11(5-1)15-14(12-7-3-9-16-12)13-8-4-10-17-13/h3-4,7-11,14-15H,1-2,5-6H2
InChIKeyJLEIAZXPPLAYED-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.43
Rot. Bonds4

About N-(dithiophen-2-ylmethyl)cyclopentanamine

N-(dithiophen-2-ylmethyl)cyclopentanamine (PubChem CID 43756506) has the molecular formula C14H17NS2 and a molecular weight of 263.43 g/mol. Its IUPAC name is N-(dithiophen-2-ylmethyl)cyclopentanamine.

Molecular Properties

Compound NameN-(dithiophen-2-ylmethyl)cyclopentanamine
PubChem CID43756506
Molecular FormulaC14H17NS2
Molecular Weight263.43 g/mol
Exact Mass263.08
IUPAC NameN-(dithiophen-2-ylmethyl)cyclopentanamine
SMILESc1csc(C(NC2CCCC2)c2cccs2)c1
InChIInChI=1S/C14H17NS2/c1-2-6-11(5-1)15-14(12-7-3-9-16-12)13-8-4-10-17-13/h3-4,7-11,14-15H,1-2,5-6H2
InChIKeyJLEIAZXPPLAYED-UHFFFAOYSA-N
XLogP4.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(dithiophen-2-ylmethyl)thian-4-amine
CID 115641775
4-(dithiophen-2-ylmethylamino)cyclohexan-1-ol
CID 43761720
N-(1-thiophen-2-ylethyl)cyclohexanamine
CID 25219735
N-[(2-methylsulfanylphenyl)-thiophen-2-ylmethyl]cyclohexanamine
CID 139791714
N-(2-methyl-1-thiophen-2-ylpropyl)cyclooctanamine
CID 43225879
N-[cyclopentyl(thiophen-2-yl)methyl]cyclopropanamine
CID 43754683
N-(dithiophen-2-ylmethyl)-3,5-dimethylcyclohexan-1-amine
CID 64733837
N-[(R)-cyclopropyl(thiophen-2-yl)methyl]cyclobutanamine
CID 51921587
2-(cycloheptylamino)-1-thiophen-2-ylpropan-1-ol
CID 82314428
N-[phenyl(thiophen-2-yl)methyl]thian-3-amine
CID 62873455
N-(1,2-dithiophen-2-ylethyl)cyclohexanamine
CID 43756050
2-(cyclopentylamino)-3-methyl-1-thiophen-2-ylbutan-1-ol
CID 82314559

Frequently Asked Questions

What is the IUPAC name of N-(dithiophen-2-ylmethyl)cyclopentanamine?
The IUPAC name of N-(dithiophen-2-ylmethyl)cyclopentanamine (CID 43756506) is N-(dithiophen-2-ylmethyl)cyclopentanamine.
What is the SMILES notation for N-(dithiophen-2-ylmethyl)cyclopentanamine?
The canonical SMILES for N-(dithiophen-2-ylmethyl)cyclopentanamine is c1csc(C(NC2CCCC2)c2cccs2)c1.
What is the InChIKey of N-(dithiophen-2-ylmethyl)cyclopentanamine?
The InChIKey is JLEIAZXPPLAYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NS2/c1-2-6-11(5-1)15-14(12-7-3-9-16-12)13-8-4-10-17-13/h3-4,7-11,14-15H,1-2,5-6H2.
What are the key properties of N-(dithiophen-2-ylmethyl)cyclopentanamine?
N-(dithiophen-2-ylmethyl)cyclopentanamine has a molecular weight of 263.43 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dithiophen-2-ylmethyl)cyclopentanamine is sourced from PubChem (CID 43756506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).